| SpectraBase Spectrum ID |
DHRsd0nZOOu |
| Name |
Ethyl 8-acetoxy-1,2-dihydro-2-oxo-1-oxaazulene-3-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.063388100 u |
| Formula |
C14H12O6 |
| InChI |
InChI=1S/C14H12O6/c1-3-18-13(16)11-9-6-4-5-7-10(19-8(2)15)12(9)20-14(11)17/h4-7H,3H2,1-2H3 |
| InChIKey |
MJIOLDIQOMOVRC-UHFFFAOYSA-N |
| Molecular Weight |
276.244 g/mol |
| SMILES |
C1=CC=CC(=C2C1=C(C(OCC)=O)C(O2)=O)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88928 |
